Glycoside
...
GD141525

Name:
Stambomycin D

Formula:
C73H133O21N

Smiles:
CCCCCCC1C=C(C)C(O)CC(O)CCCC(O)C(C)C(O)CC=CC=C(C)C(O)C(C)C2CC(OC3OC(C)C(O)C(N(C)C)C3O)C(C)C(O)(CC(=O)OC(C)C=CC(O)CC(O)CCCC(C)C(C)C(O)CCC(C)C(O)CC(O)CC(O)CCC(O)C1O)O2

Aglycone:
CCCCCCC1C=C(C)C(O)CC(O)CCCC(O)C(C)C(O)CC=CC=C(C)C(O)C(C)C2CC(O)C(C)C(O)(CC(=O)OC(C)C=CC(O)CC(O)CCCC(C)C(C)C(O)CCC(C)C(O)CC(O)CC(O)CCC(O)C1O)O2

Sugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 3
HBD: 16 FractionCSP3: 0.88
AlogP: 5.53 Num_rotatable_bonds: 8
MolWt: 1360.85 Num_heavy_atoms: 95
TPSA: 380.91 NumAromaticRings: 0

Unique Aglycone
AD57004
Formula: C65H118O18

Smiles:
CCCCCCC1C=C(C)C(O)CC(O)CCCC(O)C(C)C(O)CC=CC=C(C)C(O)C(C)C2CC(O)C(C)C(O)(CC(=O)OC(C)C=CC(O)CC(O)CCCC(C)C(C)C(O)CCC(C)C(O)CC(O)CC(O)CCC(O)C1O)O2
HBA: 18 RingCount: 2
HBD: 15 FractionCSP3: 0.86
AlogP: 6.11 Num_rotatable_bonds: 5
MolWt: 1187.64 Num_heavy_atoms: 83
TPSA: 338.98 NumAromaticRings: 0

Sugarmoiety
SD00048

CC1OC(O)C(O)C(N(C)C)C1O